4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene
TL;DR: 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene (CAS 37895-65-1) is a chemical compound with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-3,5-dioxa-4λ4-thia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),7-triene
Also Known As: HEP-I, 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene, 5,5-dimethyl-7-nitroso-5,6-dihydro-4H-benzo[1,2,5]oxathiazole, 9,9-dimethyl-3,5-dioxa-4lambda4-thia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),7-triene, 6H-[1,2,5]Oxathiazolo[4,3,2-hi][2,1,3]benzoxathiazole-3-SIV, 7,8-dihydro-7,7-dimethyl-
| Molecular Formula | C8H10N2O2S |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 1.4925 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.0463 |
| Heavy Atoms | 13 |
| Complexity | 381.60526 |
Chemical Identifiers
| CAS Number | 37895-65-1 |
|---|---|
| SMILES | CC1(CC2=NOS3=C2C(=C1)NO3)C |
Product Overview
4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene (CAS 37895-65-1), with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol. IUPAC: 9,9-dimethyl-3,5-dioxa-4λ4-thia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),7-triene.
Chemical Property Profile of 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene
Property Insights of 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene
The XLogP value of 1.4925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene. With a topological polar surface area (TPSA) of 42.85 Ų, 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene?
The CAS number of 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene is 37895-65-1.
What is the molecular formula of 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene?
The molecular formula of 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene is C8H10N2O2S.
What is the molecular weight of 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene?
The molecular weight of 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene is 198.05 g/mol.
Where can I buy 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene?
You can request a quote for 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-1,7-dioxa-2,6-diaza-7a-thia-3H,5H-benzo(cd)pentalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.